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88918-26-7 | 2(3H)-Isoxazolecarboxamide, 5-(chloromethyl)-N,N-dimethyl-3-oxo-
CAS No: 88918-26-7 Catalog No: AG0048XD MDL No:
Product Description
Catalog Number:
AG0048XD
Chemical Name:
2(3H)-Isoxazolecarboxamide, 5-(chloromethyl)-N,N-dimethyl-3-oxo-
CAS Number:
88918-26-7
Molecular Formula:
C7H9ClN2O3
Molecular Weight:
204.6110
IUPAC Name:
5-(chloromethyl)-N,N-dimethyl-3-oxo-1,2-oxazole-2-carboxamide
InChI:
InChI=1S/C7H9ClN2O3/c1-9(2)7(12)10-6(11)3-5(4-8)13-10/h3H,4H2,1-2H3
InChI Key:
JRRPFTNLWHHESN-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)n(o1)C(=O)N(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.61g/mol
Monoisotopic Mass:
204.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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